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2-cyano-4-ethyl-5-methyl-1-phenyl-4,5-dihydro-1H-azepine

View entire compound with spectra: 1 MS (GC)

2-cyano-4-ethyl-5-methyl-1-phenyl-4,5-dihydro-1H-azepine
SpectraBase Compound ID GjFdqnqRvqD
InChI InChI=1S/C16H18N2/c1-3-14-11-16(12-17)18(10-9-13(14)2)15-7-5-4-6-8-15/h4-11,13-14H,3H2,1-2H3
InChIKey STAPVUCNOWJYMI-UHFFFAOYSA-N
Mol Weight 238.33 g/mol
Molecular Formula C16H18N2
Exact Mass 238.146999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Y5D2bWe1Ui
Name 2-cyano-4-ethyl-5-methyl-1-phenyl-4,5-dihydro-1H-azepine
CAS Registry Number 117679-44-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2
InChI InChI=1S/C16H18N2/c1-3-14-11-16(12-17)18(10-9-13(14)2)15-7-5-4-6-8-15/h4-11,13-14H,3H2,1-2H3
InChIKey STAPVUCNOWJYMI-UHFFFAOYSA-N
Molecular Weight 238.334 g/mol
SMILES C=1(N(C=CC(C(C1)CC)C)c1ccccc1)C#N
SPLASH splash10-0adr-2190000000-306246b40cf0c158f9cb
Source of Spectrum J-54-483-13
Synonyms 4-Ethyl-5-methyl-1-phenyl-4,5-dihydro-1H-azepine-2-carbonitrile
Wiley ID 1241424